4-Hlorodehidrometiltestosteron : Osobine, Reference, Literatura, Spoljašnje veze Википедија

4-Hlorodehidrometiltestosteron

4-Hlorodehidrometiltestosteron
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	2446-23-3^Y
ATC kod	None
PubChem	CID 98521
ChemSpider	88972^Y
Sinonimi	4-Chlordehydromethyltestosterone; Dehydrochloromethyltestosterone; 4-Chloromethandienone
Hemijski podaci
Formula	C₂₀H₂₇ClO₂
Molarna masa	334,880
SMILES C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)C=C[C@@]4(C)[C@H]3CC[C@@]12C
InChI InChI=1S/C20H27ClO2/c1-18-9-8-16(22)17(21)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h8-9,12-14,23H,4-7,10-11H2,1-3H3/t12-,13+,14+,18+,19-,20-/m1/s1^Y Key:AGUNEISBPXQOPA-PWZALKAWSA-N^Y

4-Hlorodehidrometiltestosteron je organsko jedinjenje, koje sadrži 20 atoma ugljenika i ima molekulsku masu od 334,880 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	1
Broj rotacionih veza	0
Particioni koeficijent^[1] (ALogP)	4,0
Rastvorljivost^[2] (logS, log(mol/L))	-5,8
Polarna površina^[3] (PSA, Å²)	37,3

^ Ghose, A.K.; Viswanadhan V.N. & Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A. 102: 3762—3772. doi:10.1021/jp980230o.
^ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488—1493. PMID 11749573. doi:10.1021/ci000392t.
^ Ertl P.; Rohde B.; Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714—3717. PMID 11020286. doi:10.1021/jm000942e.

Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803.
Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799.